Decomposition of CH4 on S-A type stepped Si(100) surface


Katircioglu S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS B, vol.16, no.16, pp.2191-2200, 2002 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 16 Issue: 16
  • Publication Date: 2002
  • Doi Number: 10.1142/s0217979202011238
  • Journal Name: INTERNATIONAL JOURNAL OF MODERN PHYSICS B
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.2191-2200

Abstract

Density functional theory method is used to explore the mechanism of dissociative adsorption of methane (CH4) on SA type stepped Si(100) surface. Two reaction paths are described that produce CH3 and hydrogen atom fragments adsorbed on the dimer bonds present on each terraces. It has been found that, in the initial stage of the carbonization of stepped Si(100) surface, the CH3 and H fragments bound to the Si dimer atoms by following the first reaction path.